CID 333486

Nsc334702

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(C)OC1C2=CC=CC=C2OC(=O)N1
InChI
InChI=1S/C11H13NO3/c1-7(2)14-10-8-5-3-4-6-9(8)15-11(13)12-10/h3-7,10H,1-2H3,(H,12,13)
InChIKey
AJHIFDZDOUDWQF-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.6
[M+Na]+ 230.07876 151.0
[M-H]- 206.08226 145.9
[M+NH4]+ 225.12336 160.3
[M+K]+ 246.05270 149.6
[M+H-H2O]+ 190.08680 136.9
[M+HCOO]- 252.08774 160.6
[M+CH3COO]- 266.10339 184.1
[M+Na-2H]- 228.06421 149.8
[M]+ 207.08899 143.2
[M]- 207.09009 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.